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Electrically driven octahedral rotations in SrTiO3and PbTiO3

Jiawang Hong、David Vanderbilt2013-02-13Physical Review B

We investigate the oxygen octahedral rotations that occur in two perovskites, SrTiO${}_{3}$ and PbTiO${}_{3}$, as a function of applied three-dimensional electric displacement field, allowing us to map out the phase diagram of rotations in both the paraelectric and ferroelectric regions of the polar response. First-pr…

High-pressure geophysics and materialsFerroelectric and Piezoelectric MaterialsElectronic and Structural Properties of Oxides

Antifferomagnetic FeSe monolayer on SiTiO$_{3}$: The charge doping and electric field effects

Fawei Zheng、Zhigang Wang、Wei Kang 等 4 位作者2013-02-13arXiv

We present theoretically the electronic structure of antiferromagnetic (AFM) FeSe monolayer on TiO$_{2}$ terminated SrTiO$_{3}$(001) surface. It is revealed that the striking disappearance of the Fermi surface around the Brillouin zone (BZ) center can be well explained by the antiferromatnetic (AFM) phase. We show tha…

Materials ScienceSuperconductivity

Detecting Lyme Disease Using Antibody-Functionalized Single-Walled Carbon Nanotube Transistors

Mitchell B. Lerner、Jennifer Dailey、Brett R. Goldsmith 等 5 位作者2013-02-13arXiv

We examined the potential of antibody-functionalized single-walled carbon nanotube (SWNT) field-effect transistors (FETs) for use as a fast and accurate sensor for a Lyme disease antigen. Biosensors were fabricated on oxidized silicon wafers using chemical vapor deposition grown carbon nanotubes that were functionaliz…

Materials Scienceq-bio.BMphysics.bio-ph

Intrinsic degradation mechanism of nearly lattice-matched InAlN layers grown on GaN substrates

Guillaume Perillat-merceroz、Gatien Cosendey、Jean-François Carlin 等 5 位作者2013-02-13arXiv

Thanks to its high refractive index contrast, band gap and polarization mismatch compared to GaN, In0.17Al0.83N layers lattice-matched to GaN are an attractive solution for applications such as distributed Bragg reflectors, ultraviolet light-emitting diodes, or high electron mobility transistors. In order to study the…

Materials Science

Hybrids of a Genetically Engineered Antibody and a Carbon Nanotube Transistor for Detection of Prostate Cancer Biomarkers

Mitchell B. Lerner、Jimson DSouza、Tatiana Pazina 等 7 位作者2013-02-13arXiv

We developed a novel detection method for osteopontin (OPN), a new biomarker for prostate cancer, by attaching a genetically engineered single chain variable fragment (scFv) protein with high binding affinity for OPN to a carbon nanotube field-effect transistor (NTFET). Chemical functionalization using diazonium salts…

q-bio.BMphysics.bio-phMaterials Science

A Carbon Nanotube Immunosensor for Salmonella

Mitchell Lerner、Brett Goldsmith、Ronald McMillon 等 7 位作者2013-02-13arXiv

Antibody-functionalized carbon nanotube devices have been suggested for use as bacterial detectors for monitoring of food purity in transit from the farm to the kitchen. Here we report progress towards that goal by demonstrating specific detection of Salmonella in complex nutrient broth solutions using nanotube transi…

Materials Science

In situ visualization of Ni-Nb bulk metallic glasses phase transition

A. I. Oreshkin、V. N. Mantsevich、S. V. Savinov 等 8 位作者2013-02-13arXiv

We report the results of the Ni-based bulk metallic glass structural evolution and crystallization behavior in situ investigation. The X-ray diffraction (XRD), transmission electron microscopy (TEM), nano-beam diffraction (NBD), differential scanning calorimetry (DSC), radial distribution function (RDF) and scanning p…

Materials Science

Self-assembled ErSb nanostructures of tunable shape and orientation: growth and plasmonic properties

Hong Lu、Daniel G. Ouellette、Sascha Preu 等 8 位作者2013-02-13arXiv

Self-assembled, semimetallic ErSb single crystal nanostructures, grown by molecular beam epitaxy, are embedded within a semiconductor GaSb matrix. Formation, evolution and orientation of a variety of nanostructures, including spherical nanoparticles, elongated nanorods, octagonal shaped nanowires oriented along the su…

Materials Science

Tailoring the electronic properties of SrRuO3 films in SrRuO3/LaAlO3 superlattices

Z. Q. Liu、M. Yang、W. M. Lü 等 13 位作者2013-02-13arXiv

The electronic properties of SrRuO3/LaAlO3 (SRO/LAO) superlattices with different interlayer thicknesses of SRO layers were studied. As the thickness of SRO layers is reduced, the superlattices exhibit a metal-insulator transition implying transformation into a more localized state from its original bulk metallic stat…

Materials ScienceStrongly Correlated Electrons

Low-Temperature Solution-Processed Solar Cells Based on PbS Colloidal Quantum Dot/CdS Heterojunctions

Liang-Yi Chang、Richard R. Lunt、Patrick R. Brown 等 5 位作者2013-02-13Nano Letters

PbS colloidal quantum dot heterojunction solar cells have shown significant improvements in performance, mostly based on devices that use high-temperature annealed transition metal oxides to create rectifying junctions with quantum dot thin films. Here, we demonstrate a solar cell based on the heterojunction formed be…

Organic Electronics and PhotovoltaicsQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Random phase approximation applied to solids, molecules, and graphene-metal interfaces: From van der Waals to covalent bonding

Thomas Olsen、Kristian S. Thygesen2013-02-13Physical Review B

The random phase approximation (RPA) is attracting renewed interest as a universal and accurate method for first-principles total energy calculations. The RPA naturally accounts for long-range dispersive forces without compromising accuracy for short-range interactions making the RPA superior to semilocal and hybrid f…

X-ray Diffraction in CrystallographyMachine Learning in Materials Sciencenanoparticles nucleation surface interactions

Self‐Healing and Antifouling Multifunctional Coatings Based on pH and Sulfide Ion Sensitive Nanocontainers

Zhaoliang Zheng、Xing Huang、Matthias Schenderlein 等 7 位作者2013-02-13Advanced Functional Materials

Abstract Application of mesoporous silica nanoparticles (MSNs) as delivery tools for self‐healing coatings is limited by spontaneous leakage and specifically responsive release of small molecular inhibitors. In this work, a pH/sulfide ion responsive release system based on MSNs using a Cu‐BTA complex forms at the open…

Corrosion Behavior and InhibitionPolymer composites and self-healingPolymer Surface Interaction Studies

Superconducting Phases in Potassium-Intercalated Iron Selenides

Tianping Ying、Xiaolong Chen、Gang Wang 等 9 位作者2013-02-13Journal of the American Chemical Society

The ubiquitous coexistence of majority insulating 245 phases and minority superconducting (SC) phases in A(x)Fe(2-y)Se(2) (A = K, Cs, Rb, Tl/Rb, Tl/K) formed by high-temperature routes makes pure SC phases highly desirable for studying the intrinsic properties of this SC family. Here we report that there are at least…

Magnetic and transport properties of perovskites and related materialsIron-based superconductors researchSuperconductivity in MgB2 and Alloys

Powerful and efficient energy harvester with resonant-tunneling quantum dots

Andrew N. Jordan、Björn Sothmann、Rafael Sánchez 等 4 位作者2013-02-13Physical Review B

We propose a nanoscale heat engine that utilizes the physics of resonant tunneling in quantum dots in order to transfer electrons only at specific energies. The nanoengine converts heat into electrical current in a multiterminal geometry which permits one to separate current and heat flows. By putting two quantum dots…

Advanced Thermoelectric Materials and DevicesQuantum and electron transport phenomenaAdvanced Thermodynamics and Statistical Mechanics

Rainbow Trapping in Hyperbolic Metamaterial Waveguide

Haifeng Hu、Dengxin Ji、Xie Zeng 等 5 位作者2013-02-13Scientific Reports

The recent reported trapped "rainbow" storage of light using metamaterials and plasmonic graded surface gratings has generated considerable interest for on-chip slow light. The potential for controlling the velocity of broadband light in guided photonic structures opens up tremendous opportunities to manipulate light…

Photonic and Optical DevicesMetamaterials and Metasurfaces ApplicationsPlasmonic and Surface Plasmon Research

Band-structure calculations for the 3 d transition metal oxides in G W

Stephan Lany2013-02-13Physical Review B

Many-body $GW$ calculations have emerged as a standard for the prediction of band gaps, band structures, and optical properties for main-group semiconductors and insulators, but it is not well established how predictive the $GW$ method is in general for transition metal (TM) compounds. Surveying the series of 3$d$ oxi…

ZnO doping and propertiesElectronic and Structural Properties of OxidesHeusler alloys: electronic and magnetic properties

Conversion Reactions of Cadmium Chalcogenide Nanocrystal Precursors

Raúl García‐Rodríguez、Mark P. Hendricks、Brandi M. Cossairt 等 5 位作者2013-02-13Chemistry of Materials

We survey the chemical reactions between common precursors used in the synthesis of metal chalcogenide nanocrystals and outline how they affect the mechanism and kinetics of nanocrystal growth. We emphasize syntheses of cadmium selenide and cadmium sulfide where a variety of metal and chalcogenide precursors have been…

Nanocluster Synthesis and ApplicationsChalcogenide Semiconductor Thin FilmsQuantum Dots Synthesis And Properties

Cs2B4SiO9: A Deep‐Ultraviolet Nonlinear Optical Crystal

Hongping Wu、Hongwei Yu、Shilie Pan 等 7 位作者2013-02-13Angewandte Chemie

Nichtlineare Optik: Ein neues Bor-reiches Borsilicat, Cs2B4SiO9, wurde synthetisiert (siehe Bild). Die Verbindung zeigt eine 4.6-fach stärkere Frequenzverdopplung im Vergleich zu KH2PO4 und zeichnet sich durch eine schmale UV-Absorptionskante aus (unterhalb von 190 nm).

Solid-state spectroscopy and crystallographyCrystal structures of chemical compoundsCrystal Structures and Properties

Cs2B4SiO9: A Deep‐Ultraviolet Nonlinear Optical Crystal

Hongping Wu、Hao Yu、Shilie Pan 等 7 位作者2013-02-13Angewandte Chemie International Edition

Nonlinear optics: A new borosilicate, Cs2B4SiO9, has been synthesized (see picture). This compound represents a new kind of a boron-rich borosilicate and shows a 4.6 times stronger powder second-harmonic generation response relative to KH2PO4. In addition, Cs2B4SiO9 has a short UV cutoff edge (below 190 nm).

Solid-state spectroscopy and crystallographyCrystal structures of chemical compoundsCrystal Structures and Properties

Rational Design of Advanced Thermoelectric Materials

Jihui Yang、Hin‐Lap Yip、Alex K.‐Y. Jen2013-02-13OpenAlex

Abstract Advanced thermoelectric technologies can drastically improve energy efficiencies of industrial infrastructures, solar cells, automobiles, aircrafts, etc. When a thermoelectric device is used as a solid‐state heat pump and/or as a power generator, its efficiency depends pivotally on three fundamental transport…

Thermal properties of materialsAdvanced Thermoelectric Materials and DevicesThermal Radiation and Cooling Technologies